CID 118796421

5f-adbica

Structural Information

Molecular Formula
C20H28FN3O2
SMILES
CC(C)(C)[C@@H](C(=O)N)NC(=O)C1=CN(C2=CC=CC=C21)CCCCCF
InChI
InChI=1S/C20H28FN3O2/c1-20(2,3)17(18(22)25)23-19(26)15-13-24(12-8-4-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,4,7-8,11-12H2,1-3H3,(H2,22,25)(H,23,26)/t17-/m1/s1
InChIKey
ITZSOCZDFSHNCL-QGZVFWFLSA-N
Compound name
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

361.21655 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.223826 190.5
[M+Na]+ 384.205768 195.4
[M-H]- 360.209274 191.6
[M+NH4]+ 379.250373 203.9
[M+K]+ 400.179708 191.4
[M+H-H2O]+ 344.213810 181.9
[M+HCOO]- 406.214751 208.6
[M+CH3COO]- 420.230401 222.4
[M+Na-2H]- 382.191216 189.8
[M]+ 361.21600142 191.8
[M]- 361.21709858 191.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe